SCHEMBL14355087

SCHEMBL14355087

c1cnc(Nc2ccc(-c3ccncc3)nc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.44
▸ BCR P11274 4/20 0.44
▸ SRC P12931 1/20 0.44
▸ MAPT P10636 5/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ WNT3A P56704 1/20 0.43
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PRKCA P17252 3/20 0.40
▸ PPARG P37231 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14355085 0.83 SMN1; SMN2 (0.51) ABL1MAPTMAPK1ALDH1A1CLK1
SCHEMBL14355086 0.79 RAB9A (0.56) ABL1BCRMAPTALDH1A1CYP11B1
SCHEMBL14355084 0.77 CYP11B1 (0.45) ABL1BCRMAPTMAPK1ALDH1A1
SCHEMBL5823445 0.75 RAD52 (0.48) ABL1BCRSRCMAPTMAPK1
SCHEMBL29618407 0.71 NPC1 (0.51) ABL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3950825 0.71 NPC1 (0.51) ABL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20357269 0.71 CYP11B1 (0.48) MAPTMAPK1CYP11B1CYP11B2NPC1
SCHEMBL22589209 0.71 ALDH1A1 (0.52) ABL1MAPTMAPK1ALDH1A1WNT3A
SCHEMBL14378882 0.70 WNT3A (0.53) ALDH1A1WNT3APPARGPTPN2PTPN1
SCHEMBL14377943 0.70 PPARG (0.54) MAPTALDH1A1WNT3ANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301029-B2 Bipyridine Derivatives FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-11-27 — — US disclosed
US-7301029-B2 Bipyridine Derivatives FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-11-27 — — US disclosed
Send feedback